Hey there esteemed developers, would it be possible add an additional flag to the kspace slab mode feature such that *no* long-range forces are added in the z direction at all? We have this hacked into our version, but it a) is a pain to keep it up to date with the main Lammps release, and b) complicates sharing our code with others.
Thanks,
Jeremy
Hey there esteemed developers, would it be possible add an additional flag to the kspace slab mode feature such that *no* long-range forces are added in the z direction at all? We have this hacked into our version, but it a) is a pain to keep it up to date with the main Lammps release, and b) complicates sharing our code with others.
hmm... but there have to be force contributions in z-direction.
if you leave them out, you impose an spurious potential
across the slab in z-direction.
axel.
Yes, we use our finite element solver to supply these forces.
Jeremy
You can work with Paul on this to see what
he things - the slab mode stuff is his coding.
Steve
Hi Jeremy. Could you send me your version of the code that includes the needed hacks and is up-to-date w.r.t. the current version of LAMMPS?
Thanks,
Paul